Table 1.
Data collection and refinement statistics (molecular replacement)
| αVβ3–hFN10 | αVβ3–wtFN10 | αVβ3–hFN10/B | |
|---|---|---|---|
| Data collection | |||
| Space group | P3221 | P3221 | P3221 |
| Cell dimensions | |||
| a, b, c (Å) | 129.8, 129.8, 307.6 | 129.7, 129.7, 305.8 | 130.0, 130.0, 308.2 |
| α, β, γ (°) | 90, 90, 120 | 90, 90, 120 | 90, 90, 120 |
| Resolution (Å) | 50-3.1 (3.21–3.1)* | 75.49-3.32 (3.5–3.32) | 50-3.17 (3.28–3.17) |
| Rsym | 7.9 (79.7) | 10.9 (67.2) | 10.4 (89.4) |
| I / σ I | 27.1 (2.3) | 13.9 (3.3) | 12.6 (2.2) |
| Completeness (%) | 99.9 (100) | 88.0 (88.0) | 99.7 (99.7) |
| Redundancy | 6.1 (6.1) | 6.2 (6.4) | 5.3 (5.1) |
| Refinement | |||
| Resolution (Å) | 49.3–3.1 | 42.5–3.32 | 49.4–3.18 |
| No. reflections | 55,243 | 39,536 | 51,260 |
| Rwork / Rfree | 20.5/ 25.5 | 21.1/ 25.8 | 20.5/ 23.9 |
| No. atoms | 13,501 | 13,626 | 13,000 |
| Protein | 12,794 | 12,922 | 12,922 |
| Ligand/Ion | |||
| FN10 | 690 | 694 | 65 |
| Mn2+ | 8 | 8 | 8 |
| Water | 9 | 2 | 5 |
| B factors | |||
| All atoms (Å2) | 116.7 | 102.8 | 75.8 |
| Protein | 114.2 | 98.5 | 75.7 |
| Ligand/Ion | |||
| FN10 | 163.2 | 181.8 | 83.7 |
| Mn2+ | 135.9 | 102.9 | 80.5 |
| Water | 95.2 | 67.7 | 54.8 |
| r.m.s. deviations | |||
| Bond lengths (Å) | 0.004 | 0.003 | 0.005 |
| Bond angles(°) | 0.89 | 0.9 | 0.98 |
*
Values in parenthesis are for highest-resolution shell. One crystal was used for each dataset.